Monaspyranoindole
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Formula: C13H15NO
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Molecular weight: 201.26
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Smiles: CC1(C2=C(CCO1)C3=CC=CC=C3N2)C
Monaspyranoindole
Names
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Mycotoxin name: Monaspyranoindole
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First synonym: Monaspyranoindole
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Synonyms: Monaspyranoindole,SCHEMBL11453002,1,1-Dimethyl1,3,4,9-tetrahydropyrano-[3,4-b]indole,1,3,4,9-Tetrahydro-1,1-dimethylpyrano[3,4-b]indole,1,1-DIMETHYL-1,3,4,9-TETRAHYDROPYRANO-[3,4-b]INDOLE,1,1-DIMETHYL-1,3,4,9-TETRAHYDROPYRANO[3,4-b]INDOLE
Identifiers / External links
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CAS: 42821-17-0
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PubChem CID: 12230454
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ChemSpiderID: 15260734
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ChEMBL: CHEMBL11453002
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Chemical Entities of Biological Interest (CHEBI): CHEBI:205246
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SCHEMBL: SCHEMBL11453002
Structure
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Smiles: CC1(C2=C(CCO1)C3=CC=CC=C3N2)C
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Isomeric smiles: CC1(C2=C(CCO1)C3=CC=CC=C3N2)C
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Inchi: InChI=1S/C13H15NO/c1-13(2)12-10(7-8-15-13)9-5-3-4-6-11(9)14-12/h3-6,14H,7-8H2,1-2H3
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Inchikey: DEFSXUNWUSCNII-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C13H15NO
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Molecular weight: 201.26
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Monoisotopic mass: 201.115364102
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Fungi
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Fungi id Species 636 Monascus pilosus BCRC38072